SCHEMBL8744823

SCHEMBL8744823

Cc1cc(C)c(C2C(=O)NC(C3CCCC3)C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 3/20 0.32
MEN1 O00255 1/20 0.32
GAPDH P04406 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EBP Q15125 2/20 0.31
DHCR7 Q9UBM7 2/20 0.31
CRBN Q96SW2 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EPHX2 P34913 1/20 0.30
PBRM1 Q86U86 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12687865 0.87 MEN1 (0.32) MEN1GAPDHPOLBKMT2ATDP1
SCHEMBL12687653 0.84
SCHEMBL8648444 0.70 PBRM1 (0.32) MEN1GAPDHPOLBKMT2ATDP1
SCHEMBL8744726 0.70 USP2 (0.36) MEN1GAPDHPOLBKMT2ATDP1
SCHEMBL8744701 0.70 VDR (0.32) MEN1KMT2AKDM4EPBRM1
SCHEMBL16433665 0.70 ALDH1A1 (0.32) MEN1GAPDHPOLBKMT2ATDP1
SCHEMBL12687656 0.70 ACHE (0.35) ALDH1A1
SCHEMBL12687654 0.67 BCHE (0.30)
SCHEMBL449604 0.66 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EALDH1A1
SCHEMBL449518 0.66 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed